CID 58717049

4,6-dichloro-3-methylpyridazine

Structural Information

Molecular Formula
C5H4Cl2N2
SMILES
CC1=NN=C(C=C1Cl)Cl
InChI
InChI=1S/C5H4Cl2N2/c1-3-4(6)2-5(7)9-8-3/h2H,1H3
InChIKey
SWLRTVHQASOVRZ-UHFFFAOYSA-N
Compound name
4,6-dichloro-3-methylpyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

161.97516 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.982436 124.6
[M+Na]+ 184.964378 136.4
[M-H]- 160.967884 125.2
[M+NH4]+ 180.008983 144.3
[M+K]+ 200.938318 132.1
[M+H-H2O]+ 144.972420 119.3
[M+HCOO]- 206.973361 137.8
[M+CH3COO]- 220.989011 175.7
[M+Na-2H]- 182.949826 132.3
[M]+ 161.97461142 127.2
[M]- 161.97570858 127.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe